NatID | 103 |
Nombre Común | (2S)-8-Prenylpinocembrin |
Fórmula Molecular | C20H20O4 |
Tipo Químico | Flavonoids > Flavans |
Peso Molecular | 324.136 g/mol |
Otros nombres |
Smiles | CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 |
Inchi | InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10,17,21,23H,9,11H2,1-2H3/t17-/m0/s1 |
Inchi Key | UOWOIGNEFLTNAW-KRWDZBQOSA-N |
Estructura 3D |
clogP | 4.31 |
TPSA | 66.76 |
HBD | 2 |
HBA | 4 |
Enlaces Rotables | 3 |
Anillos aromáticos | 2 |
Átomos pesados | 24 |
Carbociclos Aromáticos | 2 |
Heterociclos Aromáticos | 0 |
Número de NO | 4 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
9072 | Dalea elegans | No | Very High | Peralta, M., Calise, M., Fornari, M., Ortega, M., Diez, R., Cabrera, J., & Pérez, C. (2012). A Prenylated Flavanone from Dalea elegans Inhibits Rhodamine 6 G Efflux and Reverses Fluconazole-Resistance in Candida albicans. Planta Medica, 78(10), 981–987. https://doi.org/10.1055/s-0031-1298627 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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